2-[2-(methylamino)pentyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

C12H22N4O — CID 62936810

IUPAC2-[2-(methylamino)pentyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCCC(Cn1nc2n(c1=O)CCCC2)NC
InChIInChI=1S/C12H22N4O/c1-3-6-10(13-2)9-16-12(17)15-8-5-4-7-11(15)14-16/h10,13H,3-9H2,1-2H3
InChIKeyILLQOBIOLVGXMT-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.77
Rot. Bonds5

About 2-[2-(methylamino)pentyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[2-(methylamino)pentyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 62936810) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[2-(methylamino)pentyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-(methylamino)pentyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID62936810
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-[2-(methylamino)pentyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCCC(Cn1nc2n(c1=O)CCCC2)NC
InChIInChI=1S/C12H22N4O/c1-3-6-10(13-2)9-16-12(17)15-8-5-4-7-11(15)14-16/h10,13H,3-9H2,1-2H3
InChIKeyILLQOBIOLVGXMT-UHFFFAOYSA-N
XLogP0.77
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)pentyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-(methylamino)pentyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 62936810) is 2-[2-(methylamino)pentyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-(methylamino)pentyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-(methylamino)pentyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is CCCC(Cn1nc2n(c1=O)CCCC2)NC.
What is the InChIKey of 2-[2-(methylamino)pentyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is ILLQOBIOLVGXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-6-10(13-2)9-16-12(17)15-8-5-4-7-11(15)14-16/h10,13H,3-9H2,1-2H3.
What are the key properties of 2-[2-(methylamino)pentyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-(methylamino)pentyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 238.33 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)pentyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 62936810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).